Miscellaneous updates

- fix shebang
- add `-f` for `rm`
This commit is contained in:
Eisuke Kawashima 2020-07-09 13:47:25 +09:00
parent 8a1ccac74f
commit 40cb01a6a4
No known key found for this signature in database
GPG Key ID: 84D5AA2AD6834124
6 changed files with 3 additions and 9 deletions

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@ -1,4 +1,4 @@
#!/usr/bin/gnuplot
#!/usr/bin/env gnuplot
#
set term post color solid enh
set out 'project_chainH2_onto_H2.ps'

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@ -1,5 +1,3 @@
#!/bin/bash
#
# Copyright (C) 2001 Quantum ESPRESSO
#
# This program is free software; you can redistribute it and/or

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@ -29,6 +29,6 @@ for iqpt in np.arange(1,nqpt+1):
os.system('cp si.fc.xml save/ifc.q2r.xml')
else:
os.system('cp _ph0/'+prefix+'.q_'+str(iqpt)+'/'+prefix+'.dvscf1 save/'+prefix+'.dvscf_q'+label)
os.system('rm _ph0/'+prefix+'.q_'+str(iqpt)+'/*wfc*' )
os.system('rm -f _ph0/'+prefix+'.q_'+str(iqpt)+'/*wfc*')

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@ -27,5 +27,5 @@ for iqpt in np.arange(1,nqpt+1):
os.system('cp -r _ph0/'+prefix+'.phsave save/')
else:
os.system('cp _ph0/'+prefix+'.q_'+str(iqpt)+'/'+prefix+'.dvscf1 save/'+prefix+'.dvscf_q'+label)
os.system('rm _ph0/'+prefix+'.q_'+str(iqpt)+'/*wfc*' )
os.system('rm -f _ph0/'+prefix+'.q_'+str(iqpt)+'/*wfc*')

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@ -1,5 +1,3 @@
#!/bin/sh
&control
calculation='scf',
/

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@ -1,5 +1,3 @@
#!/bin/sh
&control
calculation='scf',
/